4GUP
Structure of MHC-class I related molecule MR1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95453 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.154, 89.777, 171.338 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 85.670 - 3.200 |
| R-factor | 0.1964 |
| Rwork | 0.193 |
| R-free | 0.25950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ydp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.780 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.266 | 0.686 |
| Number of reflections | 15374 | |
| <I/σ(I)> | 4.5 | 1.8 |
| Completeness [%] | 98.1 | 95.7 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.02M MgCl2, 0.1M HEPES, 22% polyacrylic acid 5100 sodium salt, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
